0 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O HR125343 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O HR16952 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR104381 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR125623 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N HR106672 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.43 C\C(=C\C1=CC=CC=C1)C(=O)O HR137111 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 HR116956 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 HR141615 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 NC(=O)C(N)Cc1ccccc1 HR113225 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.43 NC(CC1=CC=CC=C1)B(O)O HR32492 [0,0,0,0,0,0|1,0,1]=2 10 B12R1.43 NC(CC1=CC=CC=C1)B(O)O HR32535 [0,0,0,0,0,0|1,0,1]=2 11 B12R1.43 NC(CC1=CC=CC=C1)B(O)O HR32536 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123017 [0,0,0,0,0,0|0,0,0]=0 13 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123288 [0,0,0,0,0,0|0,0,0]=0 14 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123548 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR123240 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR123504 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR146941 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O HR136047 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O HR136313 [0,0,0,0,0,0|1,0,0]=1 20 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR131756 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR132018 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR141722 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.43 O=C(O)C(Br)Cc1ccccc1 HR141710 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 HR104071 [0,0,0,0,0,0|1,0,0]=1 25 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HR127552 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.43 O=C(O)C(O)Cc1ccccc1 HR6413 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR132515 [0,0,0,0,0,0|1,0,2]=3 28 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR137442 [0,0,0,0,0,0|1,0,2]=3 29 B11R1.40 CCC(C)CC1=CC=CC=C1 HR111099 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.40 C\C(C=O)=C\C1=CC=CC=C1 HR137989 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.40 NC(CO)CC1=CC=CC=C1 HR147611 [1,0,0,0,0,0|0,0,1]=2 32 B11R1.40 NC(CO)CC1=CC=CC=C1 R2CQ01701 [1,0,0,0,0,0|0,0,1]=2 33 B11R1.40 NC(CO)Cc1ccccc1 HR123399 [1,0,0,0,0,0|0,0,1]=2 34 B11R1.40 NCC(N)CC1=CC=CC=C1 HR145113 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.40 NCC(O)CC1=CC=CC=C1 HR139580 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.40 NCC(O)CC1=CC=CC=C1 HR146072 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.40 NCC(O)CC1=CC=CC=C1 HR146073 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.91 CC(=O)CCC1=CC=CC=C1 HR131653 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.91 CC(=O)NCC1=CC=CC=C1 HR101818 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.91 CC(=O)NNC1=CC=CC=C1 HR123814 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.91 CC(=O)OCC1=CC=CC=C1 HR124107 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.91 CC(=O)SSC1=CC=CC=C1 HR138175 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR126722 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR129858 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 CC(C)=CCC1=CC=CC=C1 HR143896 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.91 CC(N)CCC1=CC=CC=C1 HR100540 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.91 CC(N)CCC1=CC=CC=C1 HR129379 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.91 CC(O)CCC1=CC=CC=C1 HR142083 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.91 CC(O)COC1=CC=CC=C1 HR135584 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.91 N=C(N)CCC1=CC=CN=C1 HR120288 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.91 N=C(N)CCC1=CC=NC=C1 HR121866 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.91 N=C(N)CCC1=NC=CC=C1 HR102009 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.91 N=C(N)SCC1=CC=CC=C1 HR144885 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.91 NC(=O)CCC1=CC=CC=C1 HR143750 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.91 NC(=O)CNC1=CC=CC=C1 HR118147 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 NC(=O)NCC1=CC=CC=C1 HR144984 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.91 NC(=O)NNC1=CC=CC=C1 HR140902 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 NC(=O)OCC1=CC=CC=C1 HR134339 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HR136314 [1,0,0,0,0,0|1,0,2]=4 60 B11R1.91 NC(=S)NCC1=CC=CC=C1 HR100499 [1,0,0,0,0,0|2,1,0]=4 61 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 HR125999 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.91 O=C(Cl)COC1=CC=CC=C1 HR132060 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 HR129732 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 HR136827 [1,0,0,0,0,0|1,0,2]=4 65 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HR141100 [1,0,0,0,0,0|0,0,2]=3 66 B11R1.91 O=C(O)CCC1=CC=CC=C1 HR131731 [1,0,0,0,0,0|0,0,0]=1 67 B11R1.91 O=C(O)CCC1=CC=CN=C1 HR108389 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.91 O=C(O)CCC1=NC=CC=C1 HR109593 [1,0,0,0,0,0|1,0,0]=2 69 B11R1.91 O=C(O)CNC1=CC=CC=C1 HR128051 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.91 O=C(O)COC1=CC=CC=C1 HR130671 [1,0,0,0,0,0|1,0,0]=2 71 B11R1.91 O=C(O)COC1=CC=CN=C1 HR119090 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.91 O=C(O)COC1=CC=NC=C1 HR33959 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.91 O=C(O)COC1=NC=CC=C1 HR144151 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.91 O=C(O)CSC1=CC=CC=C1 HR135052 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.91 O=C(O)CSC1=CC=NC=C1 HR129472 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR101436 [1,0,0,0,0,0|0,0,2]=3 77 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR136574 [1,0,0,0,0,0|0,0,2]=3 78 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HR140259 [1,0,0,0,0,0|1,0,2]=4 79 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HR145699 [1,0,0,0,0,0|1,0,2]=4 80 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 HR125940 [1,0,0,0,0,0|1,0,2]=4 81 B11R1.91 O=C(O)\C=C\c1ccncc1 HR135503 [1,0,0,0,0,0|1,0,2]=4 82 B11R1.91 O=C([O-])CNC1=CC=CC=C1 HR128317 [1,0,0,0,0,0|1,0,1]=3 83 B11R1.91 O=C([O-])COC1=CC=CC=C1 HR124172 [1,0,0,0,0,0|1,0,1]=3 84 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HR137106 [1,0,0,0,0,0|0,0,3]=4 85 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 HR105516 [1,0,0,0,0,0|1,0,1]=3 86 B11R1.91 OB(O)CCC1=CC=CC=C1 HR124048 [1,0,0,0,0,0|1,0,1]=3 87 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O HR125364 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O HR128093 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O HR122638 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.133 CC1=CC=C(CC(N)B(O)O)C=C1 HR32495 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR118920 [0,1,0,0,0,0|0,0,0]=1 92 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR123568 [0,1,0,0,0,0|0,0,0]=1 93 B13R1.133 CC1=CC=C(NC(C)C(=O)O)C=C1 HR123832 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR118291 [0,1,0,0,0,0|0,0,0]=1 95 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128095 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128365 [0,1,0,0,0,0|0,0,0]=1 97 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR130844 [0,1,0,0,0,0|0,0,0]=1 98 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR140535 [0,1,0,0,0,0|0,0,0]=1 99 B13R1.133 NC(CC1=CC=C(F)C=C1)B(O)O HR32496 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR132042 [0,1,0,0,0,0|0,0,0]=1 101 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR135124 [0,1,0,0,0,0|0,0,0]=1 102 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEJL03501 [0,1,0,0,0,0|0,0,0]=1 103 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEXF01701 [0,1,0,0,0,0|0,0,0]=1 104 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR128738 [0,1,0,0,0,0|0,0,0]=1 105 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR133784 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR134857 [0,1,0,0,0,0|0,0,0]=1 107 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR141327 [0,1,0,0,0,0|0,0,0]=1 108 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR125407 [0,1,0,0,0,0|0,0,0]=1 109 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR130121 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)[O-] HR142577 [0,1,0,0,0,0|0,0,1]=2 111 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O HR102670 [0,1,0,0,0,0|0,0,0]=1 112 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O HR131097 [0,1,0,0,0,0|0,0,0]=1 113 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O HR130989 [0,1,0,0,0,0|0,0,0]=1 114 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR122238 [0,1,0,0,0,0|0,0,0]=1 115 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR127396 [0,1,0,0,0,0|0,0,0]=1 116 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 HR123685 [0,1,0,0,0,0|1,0,1]=3 117 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR105855 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR129363 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC HR125602 [0,1,0,0,0,0|1,0,1]=3 120 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 HR125553 [0,1,0,0,0,0|0,0,0]=1 121 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 HR135873 [0,1,0,0,0,0|0,0,0]=1 122 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR128232 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR147286 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR148578 [0,1,0,0,0,0|1,0,0]=2 125 B13R1.135 NC(CC1=CC=CC=C1)C(O)CCl HR142261 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.135 NNC(=O)C(N)CC1=CC=CC=C1 HR140063 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.148 CC(Oc1cccc(Cl)c1)C(=O)O HR106123 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.148 CC1=CC(CC(N)C(=O)O)=CC=C1 HR118605 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.148 CC1=CC=CC(CC(N)C(=O)O)=C1 HR128337 [0,1,0,0,0,0|0,0,0]=1 130 B13R1.148 CC1=CC=CC(NC(C)C(=O)O)=C1 HR128072 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O HR117126 [0,1,0,0,0,0|0,0,0]=1 132 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O HR142584 [0,1,0,0,0,0|0,0,0]=1 133 B13R1.148 NC(CC1=CC(Cl)=CC=C1)C(=O)O HR138211 [0,1,0,0,0,0|0,0,0]=1 134 B13R1.148 NC(CC1=CC(Cl)=CC=C1)C(=O)O HR138476 [0,1,0,0,0,0|0,0,0]=1 135 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O HR122174 [0,1,0,0,0,0|0,0,0]=1 136 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O HR129160 [0,1,0,0,0,0|0,0,0]=1 137 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O HR128026 [0,1,0,0,0,0|0,0,0]=1 138 B13R1.148 NC(Cc1cccc(F)c1)C(=O)O HR132794 [0,1,0,0,0,0|0,0,0]=1 139 B13R1.152 NC(C(=O)O)C(O)c1ccccc1 HR121955 [0,1,0,0,0,0|0,0,0]=1 140 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR138553 [0,1,0,0,0,0|1,0,0]=2 141 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR139387 [0,1,0,0,0,0|1,0,0]=2 142 B13R1.152 O=C(O)C(=O)C(=O)C1=CC=CC=C1 HR132260 [0,1,0,0,0,0|1,0,2]=4 143 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 HR143077 [0,1,0,0,0,0|1,0,0]=2 144 B13R1.152 O=C(O)\C(Br)=C(\Br)C1=CC=CC=C1 HR101649 [0,1,0,0,0,0|1,0,2]=4 145 B13R1.202 CC1=C(CC(N)C(=O)O)C=CC=C1 HR129637 [0,1,0,0,0,0|0,0,0]=1 146 B13R1.202 CC1=C(NC(C)C(=O)O)C=CC=C1 HR129900 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.202 Cc1ccccc1CC(N)C(=O)O HR108718 [0,1,0,0,0,0|0,0,0]=1 148 B13R1.202 NC(CC1=C(Br)C=CC=C1)C(=O)O HR108402 [0,1,0,0,0,0|0,0,0]=1 149 B13R1.202 NC(CC1=C(Br)C=CC=C1)C(=O)O HR129405 [0,1,0,0,0,0|0,0,0]=1 150 B13R1.202 NC(CC1=C(Br)C=CC=C1)C(=O)O HR134960 [0,1,0,0,0,0|0,0,0]=1 151 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O HR118912 [0,1,0,0,0,0|0,0,0]=1 152 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O HR133495 [0,1,0,0,0,0|0,0,0]=1 153 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O HR133759 [0,1,0,0,0,0|0,0,0]=1 154 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR126330 [0,1,0,0,0,0|0,0,0]=1 155 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR126590 [0,1,0,0,0,0|0,0,0]=1 156 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR140428 [0,1,0,0,0,0|0,0,0]=1 157 B13R1.202 NC(Cc1ccccc1O)C(=O)O HR142658 [0,1,0,0,0,0|0,0,0]=1 158 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O HR108940 [0,1,0,0,0,0|0,0,0]=1 159 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O HR103052 [0,1,0,0,0,0|0,0,0]=1 160 B13R1.418 O=C(O)C(CO)Cc1ccccc1 DEJL02505 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O HR126134 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O HR139665 [0,1,0,0,0,0|0,0,0]=1 163 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O HR141470 [0,1,0,0,0,0|0,0,0]=1 164 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O HR146367 [0,0,0,1,0,0|3,0,0]=4 165 B13R2.369 NC1=CC2=CC=CC=C2OC1=O HR102651 [0,0,0,1,0,0|0,0,2]=3 166 B13R2.369 NC1CC2=CC=CC=C2NC1=O HR106681 [0,0,0,1,0,0|1,0,0]=2 167 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O HR133287 [0,0,0,1,0,0|2,0,0]=3 168 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 HR116845 [0,0,0,1,0,0|1,0,0]=2 169 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 HR105569 [0,0,0,1,0,0|2,0,1]=4 170 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 HR143365 [0,0,0,1,0,0|1,0,2]=4 171 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 HR108437 [0,0,0,1,0,0|1,0,2]=4 172 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 HR129456 [0,0,0,1,0,0|0,0,2]=3 173 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 HR102870 [0,0,0,1,0,0|1,0,2]=4 174 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 HR105215 [0,0,0,1,0,0|1,0,2]=4 175 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 HR105531 [0,0,0,1,0,0|1,0,2]=4 176 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 HR105840 [0,0,0,1,0,0|1,0,2]=4 177 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 HR109475 [0,0,0,1,0,0|1,0,1]=3 178 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 HR32606 [0,0,0,1,0,0|1,0,2]=4 179 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 HR105590 [0,0,0,1,0,0|1,0,2]=4 180 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 HR105154 [0,0,0,1,0,0|1,0,0]=2 181 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 HR137880 [0,0,0,1,0,0|0,0,0]=1 182 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 HR3035 [0,0,0,1,0,0|0,0,0]=1 183 B13R2.435 O=C(O)C1Cc2ccccc2N1 HR129285 [0,0,0,1,0,0|0,0,0]=1 184 B13R2.435 O=C(O)c1cc2ccccc2s1 HR137708 [0,0,0,1,0,0|1,0,2]=4 185 B11R1.35 CC(NC1=CC=CO1)C(=O)O HR128335 [0,0,0,0,1,0|3,0,0]=4 186 B11R1.35 CC(NC1=CC=CS1)C(=O)O HR131485 [0,0,0,0,1,0|3,0,0]=4 187 B11R1.35 CC(NC1=CSC=C1)C(=O)O HR129636 [0,0,0,0,1,0|3,0,0]=4 188 B11R1.35 NC(CC1=CC=CO1)C(=O)O HR128070 [0,0,0,0,1,0|1,0,0]=2 189 B11R1.35 NC(CC1=CC=CS1)C(=O)O HR131216 [0,0,0,0,1,0|1,0,0]=2 190 B11R1.35 NC(CC1=CC=CS1)C(=O)O HR143345 [0,0,0,0,1,0|1,0,0]=2 191 B11R1.35 NC(CC1=CNC=N1)C(=O)O HR129182 [0,0,0,0,1,0|2,0,0]=3 192 B11R1.35 NC(CC1=CNC=N1)C(=O)O HR134175 [0,0,0,0,1,0|2,0,0]=3 193 B11R1.35 NC(CC1=CNC=N1)C(=O)O HR135352 [0,0,0,0,1,0|2,0,0]=3 194 B11R1.35 NC(CC1=CNC=N1)C(=O)O HR136019 [0,0,0,0,1,0|2,0,0]=3 195 B11R1.35 NC(CC1=CSC=C1)C(=O)O HR129898 [0,0,0,0,1,0|1,0,0]=2 196 B11R1.35 NC(CC1=CSC=N1)C(=O)O HR128305 [0,0,0,0,1,0|2,0,0]=3 197 B11R1.35 NC(CN1C=CN=C1)C(=O)O HR140564 [0,0,0,0,1,0|2,0,0]=3 198 B11R1.35 O=C(O)C(O)CC1=CN=CN1 HR112361 [0,0,0,0,1,0|3,0,0]=4 199 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 HR127990 [0,0,0,0,1,0|1,0,1]=3 200 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 HR118801 [0,0,0,0,1,0|2,0,1]=4 201 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HR134536 [0,0,0,0,1,0|2,0,1]=4 202 B11R1.36 CC(=O)C(N)c1ccccc1 HR107181 [0,0,0,0,1,0|1,0,0]=2 203 B11R1.36 CC(=O)C(O)c1ccccc1 HR100300 [0,0,0,0,1,0|2,0,0]=3 204 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 HR101523 [0,0,0,0,1,0|3,0,0]=4 205 B11R1.36 CC(C(=O)Cl)C1=CC=CC=C1 HR119666 [0,0,0,0,1,0|2,0,0]=3 206 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HR131467 [0,0,0,0,1,0|1,0,0]=2 207 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HR136928 [0,0,0,0,1,0|1,0,0]=2 208 B11R1.36 CC(C(=O)O)c1ccccc1 HR6079 [0,0,0,0,1,0|1,0,0]=2 209 B11R1.36 CC(O)C(N)C1=CC=CC=C1 HR103561 [0,0,0,0,1,0|1,0,1]=3 210 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 HR141921 [0,0,0,0,1,0|1,0,0]=2 211 B11R1.36 NC(=O)C(N)c1ccccc1 HR125809 [0,0,0,0,1,0|1,0,0]=2 212 B11R1.36 NC(C(=O)Cl)c1ccccc1 HR133466 [0,0,0,0,1,0|1,0,0]=2 213 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR122845 [0,0,0,0,1,0|0,0,0]=1 214 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR126179 [0,0,0,0,1,0|0,0,0]=1 215 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR127777 [0,0,0,0,1,0|0,0,0]=1 216 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR147603 [0,0,0,0,1,0|0,0,0]=1 217 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 HR100134 [0,0,0,0,1,0|2,0,0]=3 218 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 HR131693 [0,0,0,0,1,0|1,0,1]=3 219 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 HR127939 [0,0,0,0,1,0|1,0,0]=2 220 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR129834 [0,0,0,0,1,0|1,0,0]=2 221 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR131808 [0,0,0,0,1,0|1,0,0]=2 222 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR132071 [0,0,0,0,1,0|1,0,0]=2 223 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 HR132322 [0,0,0,0,1,0|1,0,1]=3 224 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 HR112648 [0,0,0,0,0,1|2,0,1]=4 225 B13R1.348 CC(CC(=O)O)NC1=CC=CC=C1 HR115895 [0,0,0,0,0,1|2,0,0]=3 226 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 HR134956 [0,0,0,0,0,1|0,0,0]=1 227 B13R1.348 NC(CC(=O)O)Cc1ccccc1 HR135745 [0,0,0,0,0,1|0,0,0]=1 228 B13R1.351 NC(CCC1=CC=CC=C1)B(O)O HR32493 [0,0,0,0,0,1|1,0,1]=3 229 B13R1.351 NC(CCC1=CC=CC=C1)B(O)O HR32494 [0,0,0,0,0,1|1,0,1]=3 230 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O ECCQ01305 [0,0,0,0,0,1|0,0,0]=1 231 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O HR137202 [0,0,0,0,0,1|0,0,0]=1 232 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O HR138374 [0,0,0,0,0,1|0,0,0]=1 233 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O HR140113 [0,0,0,0,0,1|0,0,0]=1 234 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O HR143179 [0,0,0,0,0,1|0,0,0]=1 235 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 HR137491 [0,0,0,0,0,1|1,0,1]=3 236 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 HR121864 [0,0,0,0,0,1|1,0,0]=2 237 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 HR129544 [0,0,0,0,0,1|1,0,0]=2 238 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 HR143803 [0,0,0,0,0,1|1,0,0]=2 239 B10R1.17 BrCCCC1=CC=CC=C1 HR106413 [2,0,0,0,0,0|1,0,1]=4 240 B10R1.17 C=CCNC1=CC=CC=C1 HR143241 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.17 C=CCOC1=CC=CC=C1 HR135359 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.17 CNCCc1ccccc1 HR117849 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.17 COCCC1=CC=CC=C1 HR133177 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.17 ClCCCC1=CC=CC=C1 HR126996 [2,0,0,0,0,0|1,0,1]=4 245 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 HR118419 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.17 N#CCCC1=CC=CC=C1 HR100817 [2,0,0,0,0,0|1,0,1]=4 247 B10R1.17 NCCCC1=CC=CC=C1 HR143725 [2,0,0,0,0,0|1,0,1]=4 248 B10R1.17 NNCCC1=CC=CC=C1 HR100277 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.17 O=C=NCC1=CC=CC=C1 HR134544 [2,0,0,0,0,0|1,0,1]=4 250 B10R1.17 O=CC#CC1=CC=CC=C1 HR137974 [2,0,0,0,0,0|0,0,2]=4 251 B10R1.17 O=CCCc1ccccc1 ECCQ01303 [2,0,0,0,0,0|0,0,0]=2 252 B10R1.17 O=COCC1=CC=CC=C1 HR141973 [2,0,0,0,0,0|1,0,0]=3 253 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR100316 [2,0,0,0,0,0|0,0,2]=4 254 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR133706 [2,0,0,0,0,0|0,0,2]=4 255 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [2,0,0,0,0,0|0,0,1]=3 256 B10R1.17 OCCCC1=CC=NC=C1 HR135105 [2,0,0,0,0,0|1,0,1]=4 257 B10R1.17 OCCCc1ccccn1 HR136000 [2,0,0,0,0,0|1,0,1]=4 258 B10R1.17 OCCNC1=CC=CC=C1 HR138206 [2,0,0,0,0,0|1,0,1]=4 259 B10R1.17 OCCOC1=CC=CC=C1 HR135852 [2,0,0,0,0,0|1,0,1]=4 260 B10R1.17 OCCSC1=CC=CC=C1 HR133868 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.17 OCOCC1=CC=CC=C1 HR100600 [2,0,0,0,0,0|1,0,1]=4 262 B10R1.18 C=C(C)CC1=CC=CC=C1 HR102748 [2,0,0,0,0,0|1,0,1]=4 263 B10R1.18 CC(Br)CC1=CC=CC=C1 HR139183 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.18 CC(O)CC1=CC=CC=C1 HR126017 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.18 CC(O)CC1=CC=CC=C1 HR141229 [2,0,0,0,0,0|1,0,0]=3 266 B10R1.18 NC(=O)CC1=CC=CC=C1 HR137931 [2,0,0,0,0,0|0,0,1]=3 267 B10R1.18 NC(=O)CC1=CC=CN=C1 HR112388 [2,0,0,0,0,0|1,0,1]=4 268 B10R1.18 NC(=O)NC1=CC=CC=C1 HR129983 [2,0,0,0,0,0|1,0,1]=4 269 B10R1.18 NC(=S)CC1=CC=CC=C1 HR111590 [2,0,0,0,0,0|0,1,1]=4 270 B10R1.18 O=C(O)CC1=CC=CC=C1 ORJL013 [2,0,0,0,0,0|1,0,1]=4 271 B10R1.18 O=C(O)CC1=CC=CC=C1 ORJL01304 [2,0,0,0,0,0|1,0,1]=4 272 B10R1.18 O=C([O-])CC1=CC=CC=C1 HR124860 [2,0,0,0,0,0|1,0,1]=4 273 B10R1.18 O=C([O-])Cc1ccccc1 HR139076 [2,0,0,0,0,0|1,0,1]=4 274 B10R1.18 OB(O)CC1=CC=CC=C1 HR126398 [2,0,0,0,0,0|2,0,0]=4 275 B12R1.32 CN(CC=O)CC1=CC=CC=C1 ACSA02515 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.32 COCC(N)Cc1ccccc1 HR111544 [1,1,0,0,0,0|0,0,1]=3 277 B12R1.34 NC(CO)C(O)c1ccccc1 HR126709 [1,1,0,0,0,0|0,0,1]=3 278 B12R1.34 NC(CO)C(O)c1ccccc1 HR6415 [1,1,0,0,0,0|0,0,1]=3 279 B12R1.49 NC(CO)CC1=CC=C(O)C=C1 HR119469 [1,1,0,0,0,0|0,0,1]=3 280 B12R1.49 NC(CO)CC1=CC=C(O)C=C1 HR128287 [1,1,0,0,0,0|0,0,1]=3 281 B12R1.118 OCC(CO)CC1=CC=CC=C1 DEJL02502 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 HR111618 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 HR118712 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HR21102 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 HR140059 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 HR139200 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HR125616 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 HR124260 [1,1,0,0,0,0|0,0,0]=2 289 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 HR139847 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 HR126772 [1,1,0,0,0,0|0,0,2]=4 291 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 HR119313 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 HR103633 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 HR106931 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 HR153342 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HR126961 [1,1,0,0,0,0|0,0,0]=2 296 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 HR136996 [1,1,0,0,0,0|0,0,0]=2 297 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HR135444 [1,1,0,0,0,0|0,0,0]=2 298 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 HR120695 [1,1,0,0,0,0|0,0,0]=2 299 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HR131268 [1,1,0,0,0,0|0,0,0]=2 300 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HR130208 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 HR122789 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HR122536 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HR134814 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 HR129692 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 HR139391 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 HR125682 [1,1,0,0,0,0|0,0,2]=4 307 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 HR130720 [1,1,0,0,0,0|0,0,2]=4 308 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 HR124672 [1,1,0,0,0,0|0,0,2]=4 309 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 HR120516 [1,1,0,0,0,0|0,0,2]=4 310 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HR101928 [1,1,0,0,0,0|0,0,2]=4 311 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HR136333 [1,1,0,0,0,0|0,0,2]=4 312 B12R1.21 O=C([O-])COc1ccc(Cl)cc1 HR124422 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 HR113280 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HR128829 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HR128344 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.27 COC(=O)CCC1=CC=CC=C1 HR127854 [1,1,0,0,0,0|0,0,0]=2 317 B12R1.27 COC(=O)COC1=CC=CC=C1 HR128210 [1,1,0,0,0,0|1,0,0]=3 318 B12R1.27 COC(=O)CSC1=CC=CC=C1 HR139679 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HR126510 [1,1,0,0,0,0|0,0,2]=4 320 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR129987 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR133000 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.27 NNC(=O)CCC1=CC=CC=C1 HR101428 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.27 NNC(=O)OCc1ccccc1 HR133486 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 HR108993 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 HR7461 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 HR119838 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 HR133264 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.27 O=C(NO)OCC1=CC=CC=C1 HR143273 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HR134134 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HR138447 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HR100565 [1,1,0,0,0,0|0,0,0]=2 332 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 HR119163 [1,1,0,0,0,0|0,0,2]=4 333 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR115997 [1,1,0,0,0,0|0,0,0]=2 334 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR123753 [1,1,0,0,0,0|0,0,0]=2 335 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR137732 [1,1,0,0,0,0|0,0,0]=2 336 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR142848 [1,1,0,0,0,0|0,0,0]=2 337 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR143556 [1,1,0,0,0,0|0,0,0]=2 338 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR5925 [1,1,0,0,0,0|0,0,0]=2 339 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 HR120733 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.107 NC(CC(=O)O)c1ccccc1 HR136713 [1,1,0,0,0,0|0,0,0]=2 341 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 HR114800 [1,1,0,0,0,0|0,0,1]=3 342 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 HR147359 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 HR120291 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 HR117889 [1,1,0,0,0,0|0,0,0]=2 345 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 HR135525 [1,1,0,0,0,0|0,0,2]=4 346 B12R1.125 O=C(Cl)CCC1=C(F)C=CC=C1 HR100901 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.125 O=C(Cl)OCC1=C(Cl)C=CC=C1 HR121970 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 HR131976 [1,1,0,0,0,0|0,0,0]=2 349 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 HR138907 [1,1,0,0,0,0|0,0,0]=2 350 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 HR125640 [1,1,0,0,0,0|0,0,0]=2 351 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 HR101173 [1,1,0,0,0,0|0,0,0]=2 352 B12R1.125 O=C(O)CCN1C=CC=CC1=O HR118042 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.125 O=C(O)CNc1ccccc1Cl HR101785 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 HR100216 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 HR128733 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 HR128542 [1,1,0,0,0,0|0,0,2]=4 357 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 HR141211 [1,1,0,0,0,0|0,0,2]=4 358 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 HR125070 [1,1,0,0,0,0|0,0,2]=4 359 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 HR124795 [1,1,0,0,0,0|0,0,2]=4 360 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 HR137360 [1,1,0,0,0,0|0,0,2]=4 361 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HR142651 [1,1,0,0,0,0|0,0,2]=4 362 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 HR102413 [1,1,0,0,0,0|0,0,0]=2 363 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 HR143612 [1,1,0,0,0,0|0,0,2]=4 364 B12R1.226 O=C(Cl)CCC1=CC(F)=CC=C1 HR144815 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 HR125121 [1,1,0,0,0,0|0,0,0]=2 366 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 HR125382 [1,1,0,0,0,0|0,0,0]=2 367 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 HR128052 [1,1,0,0,0,0|0,0,0]=2 368 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 HR123625 [1,1,0,0,0,0|0,0,0]=2 369 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 HR136856 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 HR138104 [1,1,0,0,0,0|0,0,2]=4 371 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 HR104670 [1,1,0,0,0,0|0,0,2]=4 372 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 HR135628 [1,1,0,0,0,0|0,0,2]=4 373 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 HR131512 [1,1,0,0,0,0|0,0,2]=4 374 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 HR124019 [1,1,0,0,0,0|0,0,2]=4 375 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HR123280 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 HR116374 [1,1,0,0,0,0|1,0,1]=4 377 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 HR135422 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.104 CC1=NOC(CC(N)C(=O)O)=C1 HR105475 [0,1,0,0,1,0|2,0,0]=4 379 B12R1.108 COC(=O)C(N)CC1=CNC=N1 HR135336 [0,1,0,0,1,0|2,0,0]=4 380 B12R1.120 NC(C(=O)O)C(O)C1=CC=CS1 HR116019 [0,1,0,0,1,0|1,0,0]=3 381 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 HR123608 [0,1,0,0,1,0|1,0,0]=3 382 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 HR147875 [0,1,0,0,1,0|1,0,0]=3 383 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 HR124512 [0,1,0,0,1,0|1,0,0]=3 384 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 HR118357 [0,1,0,0,1,0|0,0,0]=2 385 B12R1.20 Cc1ccc(C(O)C(=O)O)cc1 HR139488 [0,1,0,0,1,0|1,0,0]=3 386 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 HR117776 [0,1,0,0,1,0|1,0,0]=3 387 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 HR146216 [0,1,0,0,1,0|1,0,0]=3 388 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 HR117394 [0,1,0,0,1,0|0,0,0]=2 389 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 HR146582 [0,1,0,0,1,0|0,0,0]=2 390 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 HR143274 [0,1,0,0,1,0|0,0,0]=2 391 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 HR146635 [0,1,0,0,1,0|0,0,0]=2 392 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 HR122469 [0,1,0,0,1,0|0,0,0]=2 393 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 HR128791 [0,1,0,0,1,0|0,0,0]=2 394 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 HR100184 [0,1,0,0,1,0|0,0,0]=2 395 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 HR129954 [0,1,0,0,1,0|0,0,0]=2 396 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 HR13975 [0,1,0,0,1,0|0,0,0]=2 397 B12R1.20 NC(C(=O)O)c1ccc(Cl)cc1 HR137144 [0,1,0,0,1,0|0,0,0]=2 398 B12R1.20 NC(C(=O)O)c1ccc(F)cc1 HR139471 [0,1,0,0,1,0|0,0,0]=2 399 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 HR132698 [0,1,0,0,1,0|1,0,0]=3 400 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 HR123768 [0,1,0,0,1,0|1,0,0]=3 401 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 HR142207 [0,1,0,0,1,0|1,0,0]=3 402 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 HR122705 [0,1,0,0,1,0|1,0,0]=3 403 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 HR123600 [0,1,0,0,1,0|1,0,0]=3 404 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 HR129312 [0,1,0,0,1,0|0,0,0]=2 405 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 HR129653 [0,1,0,0,1,0|0,0,0]=2 406 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 HR5744 [0,1,0,0,1,0|0,0,0]=2 407 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 HR125237 [0,1,0,0,1,0|1,0,0]=3 408 B12R1.124 O=C(O)C(Br)c1ccccc1Cl HR131262 [0,1,0,0,1,0|1,0,0]=3 409 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 HR125700 [0,1,0,0,1,0|1,0,0]=3 410 B12R1.124 O=C(O)C(O)c1ccccc1Cl HR125177 [0,1,0,0,1,0|1,0,0]=3 411 B12R1.124 O=C(O)C(O)c1ccccc1Cl HR125441 [0,1,0,0,1,0|1,0,0]=3 412 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 HR114229 [0,1,0,0,1,0|1,0,0]=3 413 B12R1.225 CC(C(=O)O)C1=CC(Cl)=CC=C1 HR140447 [0,1,0,0,1,0|1,0,0]=3 414 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 HR32700 [0,1,0,0,1,0|1,0,0]=3 415 B12R1.225 NC(C(=O)O)C1=CC(Br)=CC=C1 HR115798 [0,1,0,0,1,0|0,0,0]=2 416 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 HR116656 [0,1,0,0,1,0|0,0,0]=2 417 B12R1.225 O=C(O)C(O)C1=CC(Cl)=CC=C1 HR134718 [0,1,0,0,1,0|1,0,0]=3 418 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 HR128135 [0,1,0,0,1,0|1,0,0]=3 419 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 HR130074 [0,1,0,0,1,0|1,0,0]=3 420 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 HR146665 [0,1,0,0,1,0|1,0,1]=4 421 B12R1.478 CCC(C(=O)Cl)C1=CC=CC=C1 HR142671 [0,1,0,0,1,0|2,0,0]=4 422 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 HR124335 [0,1,0,0,1,0|1,0,0]=3 423 B12R1.478 CCC(C(=O)O)c1ccccc1 HR144000 [0,1,0,0,1,0|1,0,0]=3 424 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 HR124082 [0,1,0,0,1,0|2,0,0]=4 425 B12R1.478 COC(C(=O)O)c1ccccc1 HR110570 [0,1,0,0,1,0|1,0,0]=3 426 B12R1.478 COC(C(=O)O)c1ccccc1 HR143455 [0,1,0,0,1,0|1,0,0]=3 427 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 HR126270 [0,1,0,0,1,0|2,0,0]=4 428 B12R1.478 O=C([O-])C(CO)C1=CC=CC=C1 HR134016 [0,1,0,0,1,0|1,0,1]=4 429 B12R1.564 CC(C1=CC=CC=C1)S(=O)(=O)O HR141285 [0,1,0,0,1,0|2,0,0]=4 430 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O HR107529 [0,1,0,0,0,1|0,0,0]=2 431 B14R1.698 NC(CC(=O)O)Cc1ccc(Br)cc1 HR111912 [0,1,0,0,0,1|0,0,0]=2 432 B14R1.698 NC(CC(=O)O)Cc1ccc(Br)cc1 HR112225 [0,1,0,0,0,1|0,0,0]=2 433 B14R1.698 NC(CC(=O)O)Cc1ccc(I)cc1 HR100736 [0,1,0,0,0,1|0,0,0]=2 434 B14R1.1485 CC(=O)OC(C)(C)Cc1ccccc1 HR122500 [0,1,0,0,0,1|2,0,0]=4 435 B14R1.161 NC(CCC1=C(O)C=CC=C1)C(=O)O HR33745 [0,1,0,0,0,1|0,0,0]=2 436 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O HR140697 [0,1,0,0,0,1|1,0,0]=3 437 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O HR139255 [0,1,0,0,0,1|1,0,1]=4 438 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O HR140331 [0,1,0,0,0,1|1,0,1]=4 439 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O HR142953 [0,1,0,0,0,1|1,0,1]=4 440 B14R1.756 COC(=O)C(C)NCC1=CC=CC=C1 HR114172 [0,1,0,0,0,1|1,0,0]=3 441 B14R1.3 COC1=CC=C(CC(N)B(O)O)C=C1 HR32537 [0,2,0,0,0,0|1,0,1]=4 442 B14R1.3 COC1=CC=C(CC(N)B(O)O)C=C1 HR32538 [0,2,0,0,0,0|1,0,1]=4 443 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 HR109567 [0,2,0,0,0,0|0,0,0]=2 444 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 HR130044 [0,2,0,0,0,0|0,0,0]=2 445 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 HR140988 [0,2,0,0,0,0|0,0,0]=2 446 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 HR136545 [0,2,0,0,0,0|0,0,0]=2 447 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 HR136799 [0,2,0,0,0,0|0,0,0]=2 448 B14R1.134 COC(=O)C(C)Oc1ccc(O)cc1 HR137939 [0,2,0,0,0,0|2,0,0]=4 449 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 HR131517 [0,2,0,0,0,0|0,0,0]=2 450 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 CHXF02102 [0,2,0,0,0,0|0,0,0]=2 451 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 HR123416 [0,2,0,0,0,0|0,0,0]=2 452 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 HR127843 [0,2,0,0,0,0|0,0,0]=2 453 B14R1.134 NNC(=O)C(N)CC1=CC=C(O)C=C1 HR142187 [0,2,0,0,0,0|1,0,0]=3 454 B14R1.536 COC(CC1=CC=C(Cl)C=C1)C(=O)O HR111469 [0,2,0,0,0,0|1,0,0]=3 455 B14R1.686 CC1=C(C)C=C(CC(N)C(=O)O)C=C1 HR130173 [0,2,0,0,0,0|0,0,0]=2 456 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR136284 [0,2,0,0,0,0|0,0,0]=2 457 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR136546 [0,2,0,0,0,0|0,0,0]=2 458 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR141126 [0,2,0,0,0,0|0,0,0]=2 459 B14R1.686 NC(CC1=CC(Cl)=C(O)C=C1)C(=O)O HR138077 [0,2,0,0,0,0|0,0,0]=2 460 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O HR120632 [0,2,0,0,0,0|0,0,0]=2 461 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O HR121333 [0,2,0,0,0,0|0,0,0]=2 462 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O HR141516 [0,2,0,0,0,0|0,0,0]=2 463 B14R1.686 NC(CC1=CC(I)=C(O)C=C1)C(=O)O HR134921 [0,2,0,0,0,0|0,0,0]=2 464 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)B(O)O HR32498 [0,2,0,0,0,0|1,0,1]=4 465 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)B(O)O HR32499 [0,2,0,0,0,0|1,0,1]=4 466 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(=O)O HR127040 [0,2,0,0,0,0|0,0,0]=2 467 B14R1.686 O=C(O)C(O)CC1=CC(O)=C(O)C=C1 HR122792 [0,2,0,0,0,0|1,0,0]=3 468 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 HR145011 [0,2,0,0,0,0|1,0,1]=4 469 B14R1.6049 CC(OC1=C(Cl)C=C(Cl)C=C1)C(=O)O HR146717 [0,2,0,0,0,0|2,0,0]=4 470 B14R1.6049 CC(Oc1ccc(Cl)cc1Cl)C(=O)O HR129291 [0,2,0,0,0,0|2,0,0]=4 471 B14R1.6049 CC1=C(OC(C)C(=O)O)C=CC(Cl)=C1 HR106546 [0,2,0,0,0,0|2,0,0]=4 472 B14R1.6049 NC(CC1=C(Cl)C=C(Cl)C=C1)C(=O)O HR137061 [0,2,0,0,0,0|0,0,0]=2 473 B14R1.6049 NC(CC1=C(Cl)C=C(Cl)C=C1)C(=O)O HR137303 [0,2,0,0,0,0|0,0,0]=2 474 B14R1.7626 CC(C)(Oc1ccc(Cl)cc1)C(=O)O HR122799 [0,2,0,0,0,0|2,0,0]=4 475 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O HR124153 [0,2,0,0,0,0|0,0,0]=2 476 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 HR103827 [0,2,0,0,0,0|1,0,1]=4 477 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 HR127097 [0,2,0,0,0,0|0,0,0]=2 478 B14R1.60 CCOC(=O)C(N)CC1=NC=CC=C1 HR110768 [0,2,0,0,0,0|1,0,0]=3 479 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 HR112462 [0,2,0,0,0,0|1,0,0]=3 480 B14R1.75 COC1=CC=CC(CC(N)C(=O)O)=C1 HR146748 [0,2,0,0,0,0|0,0,0]=2 481 B14R1.75 N#CC1=CC=CC(CC(N)C(=O)O)=C1 HR119107 [0,2,0,0,0,0|0,0,0]=2 482 B14R1.75 N#CC1=CC=CC(CC(N)C(=O)O)=C1 HR127283 [0,2,0,0,0,0|0,0,0]=2 483 B14R1.75 N#CC1=CC=CC(CC(N)C(=O)O)=C1 HR134904 [0,2,0,0,0,0|0,0,0]=2 484 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O HR114283 [0,2,0,0,0,0|0,0,0]=2 485 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O HR128631 [0,2,0,0,0,0|0,0,0]=2 486 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O HR139966 [0,2,0,0,0,0|0,0,0]=2 487 B14R1.4257 NC(CC1=CC(I)=CC(I)=C1)C(=O)O HR108267 [0,2,0,0,0,0|0,0,0]=2 488 B14R1.3135 COC1=C(CC(N)C(=O)O)C=CC=C1 HR141083 [0,2,0,0,0,0|0,0,0]=2 489 B14R1.3135 N#CC1=C(CC(N)C(=O)O)C=CC=C1 HR129157 [0,2,0,0,0,0|0,0,0]=2 490 B14R1.3135 N#CC1=C(CC(N)C(=O)O)C=CC=C1 HR135231 [0,2,0,0,0,0|0,0,0]=2 491 B14R1.980 O=CNC(CC1=CC=CC=C1)C(=O)O HR143257 [0,2,0,0,0,0|0,0,0]=2 492 B14R1.4513 CN(C)C(CC1=CC=CC=C1)C(=O)O MBCQ02902 [0,2,0,0,0,0|0,0,0]=2 493 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O HR125942 [0,2,0,0,0,0|1,0,0]=3 494 B12R2.18 CC1CC2=CC=CC=C2C1=O HR122000 [1,0,0,1,0,0|1,0,0]=3 495 B12R2.18 NC1CC2=CC=CC=C2C1O HR121884 [1,0,0,1,0,0|0,0,1]=3 496 B12R2.18 O=C1C2=CC=CC=C2CC1Br HR138045 [1,0,0,1,0,0|1,0,0]=3 497 B12R2.18 OC1C2=CC=CC=C2CC1Br HR139279 [1,0,0,1,0,0|1,0,1]=4 498 B12R2.24 NC1CCC2=CC=CC=C2C1 HR113464 [1,0,0,1,0,0|1,0,1]=4 499 B12R2.24 NC1CCC2=CC=CC=C2C1 HR142447 [1,0,0,1,0,0|1,0,1]=4 500 B12R2.24 NC1CCC2=CC=CC=C2C1 HR146940 [1,0,0,1,0,0|1,0,1]=4 501 B12R2.24 NC1CCc2ccccc2C1 HR113296 [1,0,0,1,0,0|1,0,1]=4 502 B12R2.32 O=CC1=CC2=CC=CC=C2N1 HR108877 [1,0,0,1,0,0|0,0,2]=4 503 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 HR109159 [1,0,0,1,0,0|1,0,1]=4 504 B12R2.32 OCC1CC2=CC=CC=C2C1 HR106550 [1,0,0,1,0,0|1,0,1]=4 505 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 HR127082 [0,0,0,1,0,1|1,0,0]=3 506 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 HR6915 [0,0,0,1,0,1|1,0,0]=3 507 B14R2.598 CC1NC(=O)OC1c2ccccc2 HR139441 [0,0,0,1,0,1|1,0,0]=3 508 B14R2.598 CC1NC(=O)OC1c2ccccc2 HR139538 [0,0,0,1,0,1|1,0,0]=3 509 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 HR30097 [0,0,0,1,0,1|0,0,2]=4 510 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 HR114885 [0,0,0,1,0,1|1,0,1]=4 511 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 HR107863 [0,0,0,1,0,1|1,0,0]=3 512 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O HR130407 [0,0,0,1,0,1|2,0,0]=4 513 B14R2.741 NC1CCC2=C(C=CC=C2)NC1=O HR102500 [0,0,0,1,0,1|1,0,0]=3 514 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br HR128487 [0,0,0,1,0,1|2,0,0]=4 515 B14R2.781 CC(=O)C1COC2=C(C=CC=C2)O1 HR104935 [0,0,0,1,0,1|2,0,0]=4 516 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 HR125430 [0,0,0,1,0,1|2,0,0]=4 517 B14R2.781 O=C(Cl)C1COC2=C(C=CC=C2)O1 HR108785 [0,0,0,1,0,1|2,0,0]=4 518 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 HR104827 [0,0,0,1,0,1|1,0,1]=4 519 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 HR114221 [0,0,0,1,0,1|1,0,0]=3 520 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 HR144775 [0,0,0,1,0,1|1,0,0]=3 521 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 HR146522 [0,0,0,1,0,1|1,0,0]=3 522 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 HR139635 [0,0,0,1,0,1|0,0,0]=2 523 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 HR154973 [0,0,0,1,0,1|0,0,0]=2 524 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR121745 [0,0,0,1,0,1|1,0,0]=3 525 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR125586 [0,0,0,1,0,1|1,0,0]=3 526 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR125843 [0,0,0,1,0,1|1,0,0]=3 527 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR138592 [0,0,0,1,0,1|1,0,0]=3 528 B14R2.781 O=C(O)C1Cc2ccccc2CN1 HR123383 [0,0,0,1,0,1|1,0,0]=3 529 B14R2.781 O=C(O)C1Cc2ccccc2CN1 HR125567 [0,0,0,1,0,1|1,0,0]=3 530 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 HR113348 [0,1,0,1,0,0|0,0,2]=4 531 B14R2.4529 NC1=CC=C2NC(C(=O)O)=CC2=C1 HR111141 [0,1,0,1,0,0|0,0,2]=4 532 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 HR140449 [0,1,0,1,0,0|0,0,2]=4 533 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 HR136378 [0,1,0,1,0,0|0,0,2]=4 534 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 HR1683 [0,1,0,1,0,0|0,0,2]=4 535 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 HR123291 [0,1,0,1,0,0|0,0,2]=4 536 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 HR1664 [0,1,0,1,0,0|0,0,2]=4 537 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 HR134350 [0,1,0,1,0,0|0,0,2]=4 538 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 HR1684 [0,1,0,1,0,0|0,0,2]=4 539 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2N1 HR122745 [0,1,0,1,0,0|0,0,2]=4 540 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 HR102842 [0,1,0,1,0,0|1,0,1]=4 541 B14R2.8239 NC1CC2=CC(F)=CC=C2NC1=O HR149421 [0,1,0,1,0,0|1,0,0]=3 542 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 HR136864 [0,1,0,1,0,0|0,0,2]=4 543 B14R2.4476 O=C(O)C1CC1C2=CC(F)=CC=C2 HR150582 [0,1,0,1,0,0|1,0,0]=3 544 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 HR112781 [0,1,0,1,0,0|0,0,2]=4 545 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 HR104335 [0,1,0,1,0,0|1,0,1]=4 546 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 HR123507 [0,1,0,1,0,0|0,0,2]=4 547 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 HR121007 [0,1,0,1,0,0|0,0,2]=4 548 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 HR143747 [0,1,0,1,0,0|0,0,2]=4 549 B14R2.7969 O=C(O)C1=CC2=C(I)C=CC=C2N1 HR120627 [0,1,0,1,0,0|0,0,2]=4 550 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 HR130924 [0,1,0,1,0,0|0,0,2]=4 551 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 HR148144 [0,1,0,1,0,0|0,0,2]=4 552 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 HR140155 [0,1,0,1,0,0|0,0,2]=4 553 B14R2.28472 NC1CC2=C(F)C=CC=C2NC1=O HR149440 [0,1,0,1,0,0|1,0,0]=3 554 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 HR129415 [0,1,0,1,0,0|0,0,2]=4 555 B14R2.5443 CC1=C(C2CC2C(=O)O)C=CC=C1 HR116626 [0,1,0,1,0,0|1,0,0]=3 556 B10R1.15 CC(C=O)C1=CC=CC=C1 HR143142 [1,0,0,0,1,0|1,0,0]=3 557 B10R1.15 CC(CO)C1=CC=CC=C1 HR140328 [1,0,0,0,1,0|1,0,1]=4 558 B10R1.15 CCC(N)C1=CC=CC=C1 HR116998 [1,0,0,0,1,0|1,0,1]=4 559 B10R1.15 CCC(N)C1=CC=CC=C1 HR6025 [1,0,0,0,1,0|1,0,1]=4 560 B10R1.15 CN(C=O)C1=CC=CC=C1 HR123710 [1,0,0,0,1,0|2,0,0]=4 561 B10R1.15 N#CC(N)C1=CC=CC=C1 HR115674 [1,0,0,0,1,0|1,0,1]=4 562 B10R1.15 N#CC(N)c1ccccc1 HR101749 [1,0,0,0,1,0|1,0,1]=4 563 B10R1.15 N#CC(N)c1ccccc1 HR128580 [1,0,0,0,1,0|1,0,1]=4 564 B10R1.15 NC(CO)C1=CC=CC=C1 AVSA08212 [1,0,0,0,1,0|0,0,1]=3 565 B10R1.15 NC(CO)C1=CC=CC=C1 HR146786 [1,0,0,0,1,0|0,0,1]=3 566 B10R1.15 NC(CO)C1=CC=CN=C1 HR148601 [1,0,0,0,1,0|1,0,1]=4 567 B10R1.15 NC(CO)C1=NC=CC=C1 HR146163 [1,0,0,0,1,0|1,0,1]=4 568 B10R1.15 NC(CO)C1=NC=CC=C1 HR146164 [1,0,0,0,1,0|1,0,1]=4 569 B10R1.15 NC(CO)C1=NC=CC=C1 HR146165 [1,0,0,0,1,0|1,0,1]=4 570 B10R1.15 NC(CO)c1ccccc1 HR146630 [1,0,0,0,1,0|0,0,1]=3 571 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HR121947 [1,0,0,0,1,0|1,0,1]=4 572 B10R1.15 O=CC(=O)C1=CC=CC=C1 HR101665 [1,0,0,0,1,0|1,0,1]=4 573 B10R1.15 OCC(O)C1=CC=CC=C1 HR134349 [1,0,0,0,1,0|1,0,1]=4 574 B10R1.15 OCC(O)C1=CC=CC=C1 HR134688 [1,0,0,0,1,0|1,0,1]=4 575 B10R1.15 OCC(O)c1ccccc1 HR122920 [1,0,0,0,1,0|1,0,1]=4 576 B10R1.66 O=C(O)CCC1=CC=CN1 HR147312 [1,0,0,0,1,0|1,0,0]=3 577 B10R1.66 O=C(O)CCC1=CC=CO1 HR138114 [1,0,0,0,1,0|1,0,0]=3 578 B10R1.66 O=C(O)CCC1=CC=CS1 HR133338 [1,0,0,0,1,0|1,0,0]=3 579 B10R1.66 O=C(O)CCN1C=CN=C1 HR108288 [1,0,0,0,1,0|2,0,0]=4 580 B10R1.66 O=C(O)CC[C-]1C=CC=C1 HR141171 [1,0,0,0,1,0|0,0,1]=3 581 B10R1.23 NC(C(=O)O)C1=CSC=C1 HR103747 [0,0,0,0,2,0|1,0,0]=3 582 B10R1.23 NC(C(=O)O)c1cccs1 HR114356 [0,0,0,0,2,0|1,0,0]=3 583 B10R1.23 O=C(O)C(O)C1=CC=CS1 HR145753 [0,0,0,0,2,0|2,0,0]=4 584 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HR146298 [1,0,0,0,0,1|1,0,0]=3 585 B12R1.252 CC(=O)NCCC1=CC=CC=C1 HR109426 [1,0,0,0,0,1|1,0,0]=3 586 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HR125515 [1,0,0,0,0,1|1,0,0]=3 587 B12R1.252 CC(O)COCc1ccccc1 HR109733 [1,0,0,0,0,1|1,0,1]=4 588 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 HR115794 [1,0,0,0,0,1|1,0,0]=3 589 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 HR140519 [1,0,0,0,0,1|1,0,0]=3 590 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HR124591 [1,0,0,0,0,1|0,0,0]=2 591 B12R1.252 O=C(O)CCCC1=NC=CC=C1 HR118250 [1,0,0,0,0,1|1,0,0]=3 592 B12R1.252 O=C(O)CCSC1=CC=CC=C1 HR111900 [1,0,0,0,0,1|0,0,0]=2 593 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR111018 [1,0,0,0,0,1|0,0,0]=2 594 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR132729 [1,0,0,0,0,1|0,0,0]=2 595 B12R1.252 O=C(O)COCC1=CC=CC=C1 HR136190 [1,0,0,0,0,1|0,0,0]=2 596 B12R1.252 O=C(O)CSCC1=CC=CC=C1 HR141291 [1,0,0,0,0,1|0,0,0]=2 597 B14R1.423 NC(=O)OCC(N)CC1=CC=CC=C1 R2CQ017 [0,0,0,0,0,2|1,0,0]=3 598 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O HR110010 [0,0,0,0,0,2|0,0,0]=2 599 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O HR110330 [0,0,0,0,0,2|0,0,0]=2 600 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O HR113171 [0,0,0,0,0,2|0,0,0]=2 601 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O HR113485 [0,0,0,0,0,2|0,0,0]=2 602 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O HR143608 [0,0,0,0,0,2|0,0,0]=2 603 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O HR103056 [0,0,0,0,0,2|0,0,0]=2 604 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O HR110206 [0,0,0,0,0,2|0,0,0]=2 605 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O HR141212 [0,0,0,0,0,2|0,0,0]=2 606 B14R1.6449 NC(CSCC1=CC=CC=C1)C(=O)O HR125941 [0,0,0,0,0,2|0,0,0]=2 607 B14R1.6449 NC(C\C=C\c1ccccc1)C(=O)O HR132534 [0,0,0,0,0,2|0,0,0]=2 608 B14R1.6449 NC(C\C=C\c1ccccc1)C(=O)O HR132812 [0,0,0,0,0,2|0,0,0]=2